In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 10th, 2009 | 29 | Yes |
Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
---|---|---|---|---|---|---|---|---|---|---|
Ref Reference (pH 7) | 3.48 | 7.69 | -43.75 | 1 | 8 | 1 | 82 | 436.583 | 9 | ↓ |
Hi High (pH 8-9.5) | 3.48 | 5.6 | -11.66 | 0 | 8 | 0 | 81 | 435.575 | 9 | ↓ |